2-{[4-allyl-5-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-ethoxyphenyl)acetamide

SpectraBase Compound ID	3SJntEzjwoN
InChI	InChI=1S/C21H21ClN4O2S/c1-3-13-26-20(15-5-7-16(22)8-6-15)24-25-21(26)29-14-19(27)23-17-9-11-18(12-10-17)28-4-2/h3,5-12H,1,4,13-14H2,2H3,(H,23,27)
InChIKey	FMUQBBBKZZHWHL-UHFFFAOYSA-N Google Search
Mol Weight	428.94 g/mol
Molecular Formula	C21H21ClN4O2S
Exact Mass	428.107375 g/mol

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SpectraBase Spectrum ID	7RVDS6LytGr
Name	2-{[4-allyl-5-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-ethoxyphenyl)acetamide
Author	A.V.Yarkov, IPAC, Russia
Copyright	Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI	InChI=1S/C21H21ClN4O2S/c1-3-13-26-20(15-5-7-16(22)8-6-15)24-25-21(26)29-14-19(27)23-17-9-11-18(12-10-17)28-4-2/h3,5-12H,1,4,13-14H2,2H3,(H,23,27)
InChIKey	FMUQBBBKZZHWHL-UHFFFAOYSA-N
NMR Offset	18.0059
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_4386
Owner	Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State	soluted
Solvent	DMSO-d6
Source File Reference	VendorID: D98926; Labnumber: GRES-28568; SBI_ID: SBI-004388
Temperature	306 °C